SCHEMBL31338701

SCHEMBL31338701

CCN(CC)C(=O)CCCS(=O)(=O)c1ccc2c(c1)sc1nc(-c3ccc(C(F)(F)F)cc3)cn12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
TP53 P04637 4/20 0.43
LMNA P02545 3/20 0.43
THRB P10828 3/20 0.41
ALDH1A1 P00352 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31338688 0.87 APP (0.44) MAPTTP53LMNATHRBRXFP1
SCHEMBL31338705 0.84 MAPT (0.49) MAPTTP53LMNATHRBRXFP1
SCHEMBL31338693 0.80 LMNA (0.47) MAPTTP53LMNATHRBRXFP1
SCHEMBL31338679 0.73 LMNA (0.53) MAPTTP53LMNATHRBRXFP1
SCHEMBL804976 0.72 LMNA (0.48) MAPTTP53LMNATHRBRXFP1
SCHEMBL31338712 0.71 FLT3 (0.52) MAPTTP53LMNATHRBRXFP1
SCHEMBL31338708 0.69 MAPT (0.67) MAPTTP53LMNATHRBALDH1A1
SCHEMBL31338687 0.69 MAPT (0.53) MAPTTP53LMNATHRBRXFP1
SCHEMBL804949 0.69 MAPT (0.44) MAPTTP53LMNATHRBRXFP1
SCHEMBL13198307 0.68 TP53 (0.66) MAPTTP53LMNATHRBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4741401-A1 BENZOTHIAZOIMIDAZOLYL COMPOUND AND USE THEREOF ER Stress Research Institute, Inc. (JP) 2026-05-13 EP disclosed
WO-2025009553-A1 BENZOTHIAZOIMIDAZOLYL COMPOUND AND USE THEREOF 小胞体ストレス研究所株式会社 2025-01-09 WO disclosed